General Characteristics
| NatID | 68 |
| Common Name | Sakuranetin |
| Molecular Formula | C16H14O5 |
| Chemical Class | Flavonoids > O-methylated flavonoids |
| Molecular Weight | 286.084 g/mol |
| Other names |
Representations
| Smiles | COc1cc(O)c2c(c1)O[C@H](c1ccc(O)cc1)CC2=O |
| Inchi | InChI=1S/C16H14O5/c1-20-11-6-12(18)16-13(19)8-14(21-15(16)7-11)9-2-4-10(17)5-3-9/h2-7,14,17-18H,8H2,1H3/t14-/m0/s1 |
| Inchi Key | DJOJDHGQRNZXQQ-AWEZNQCLSA-N |
| 3D Structure |
Calculated Properties
| clogP | 2.81 |
| TPSA | 75.99 |
| HBD | 2 |
| HBA | 5 |
| Rotatable Bonds | 2 |
| Aromatic Rings | 2 |
| Heavy Atoms | 21 |
| Aromatic Carbocycles | 2 |
| Aromatic Heterocycles | 0 |
| Number of NO | 5 |
Experiments
| EID | Source | Semisynthetic? | Confidence level | References |
|---|---|---|---|---|
| 9586 | Baccharis aliena | No | Very High | Pacciaroni, A. del V., de los Angeles Gette, M., Derita, M., Ariza-Espinar, L., Gil, R. R., Zacchino, S. A., & Silva, G. L. (2008). Antifungal activity ofHeterothalamus alienus metabolites. Phytotherapy Research, 22(4), 524–528. https://doi.org/10.1002/ptr.2380 |
| Bioassay ID | NPASS ID | Target | Activity type | Activity |
|---|---|---|---|---|
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